4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide

C17H24N2O3S — CID 95318002

IUPAC4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C17H24N2O3S/c1-13(20)14-6-8-17(9-7-14)23(21,22)18-15-10-11-19(12-15)16-4-2-3-5-16/h6-9,15-16,18H,2-5,10-12H2,1H3/t15-/m1/s1
InChIKeyYZIPASGLLNIFFB-OAHLLOKOSA-N
MW336.46 g/mol
LogP2.18
Rot. Bonds5

About 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide

4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 95318002) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID95318002
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1
InChIInChI=1S/C17H24N2O3S/c1-13(20)14-6-8-17(9-7-14)23(21,22)18-15-10-11-19(12-15)16-4-2-3-5-16/h6-9,15-16,18H,2-5,10-12H2,1H3/t15-/m1/s1
InChIKeyYZIPASGLLNIFFB-OAHLLOKOSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
CID 86338649
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
1-(1-cyclopentylpyrrolidin-3-yl)-3-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-methylguanidine
CID 111919381
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
6-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 62159349
4-[(1-cyclopropylpyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618836

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide (CID 95318002) is 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1.
What is the InChIKey of 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is YZIPASGLLNIFFB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13(20)14-6-8-17(9-7-14)23(21,22)18-15-10-11-19(12-15)16-4-2-3-5-16/h6-9,15-16,18H,2-5,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide?
4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95318002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).